ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate

C14H14N2O3 — CID 2763693

IUPACethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc(=O)[nH]c1C
InChIInChI=1S/C14H14N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,18)
InChIKeySWIRDXKNRHFQJR-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.92
Rot. Bonds3

About ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate

ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate (PubChem CID 2763693) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
PubChem CID2763693
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Nameethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nc(=O)[nH]c1C
InChIInChI=1S/C14H14N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,18)
InChIKeySWIRDXKNRHFQJR-UHFFFAOYSA-N
XLogP1.92
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
CID 154709525
CID 154709525
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 4-acetyl-5-methyl-2-phenyl-1H-pyrrole-3-carboxylate
CID 86237031
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 4-(hydroxymethyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
CID 15398787
5-ethoxycarbonyl-2,4-diethyl-6-phenylpyridine-3-carboxylic acid
CID 10853649
ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045794
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate (CID 2763693) is ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate is CCOC(=O)c1c(-c2ccccc2)nc(=O)[nH]c1C.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate?
The InChIKey is SWIRDXKNRHFQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-3-19-13(17)11-9(2)15-14(18)16-12(11)10-7-5-4-6-8-10/h4-8H,3H2,1-2H3,(H,15,16,18).
What are the key properties of ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate?
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2763693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).